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canSAR467520
FEATURES
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NAMES
    SMILES
    CCCC/N=C(\S)OC[C@H]1OC(n2cnc3c(NC4CCOC4)ncnc32)[C@H](O)[C@@H]1O
    InChI
    InChI=1S/C19H28N6O5S/c1-2-3-5-20-19(31)29-8-12-14(26)15(27)18(30-12)25-10-23-13-16(21-9-22-17(13)25)24-11-4-6-28-7-11/h9-12,14-15,18,26-27H,2-8H2,1H3,(H,20,31)(H,21,22,24)/t11?,12-,14-,15-,18?/m1/s1
    MOLECULAR FORMULA
    C19H28N6O5S
    CROSS REFERENCES
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    canSAR467520

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 452.18
    AlogP 0.75
    HBond donors 3
    HBond acceptors 11
    Atoms 59
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR467520.